1GKM
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5M2K
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![BU of 5m2k by Molmil](/molmil-images/mine/5m2k) | Crystal structure of vancomycin-Zn(II) complex | Descriptor: | 1,2-ETHANEDIOL, ZINC ION, vancomycin, ... | Authors: | Zarkan, A, Macklyne, H.-R, Chirgadze, D.Y, Bond, A.D, Hesketh, A.R, Hong, H.-J. | Deposit date: | 2016-10-13 | Release date: | 2017-07-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Zn(II) mediates vancomycin polymerization and potentiates its antibiotic activity against resistant bacteria. Sci Rep, 7, 2017
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2X46
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![BU of 2x46 by Molmil](/molmil-images/mine/2x46) | Crystal Structure of SeMet Arg r 1 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALLERGEN ARG R 1 | Authors: | Paesen, G.C, Siebold, C, Syme, N, Harlos, K, Graham, S.C, Hilger, C, Homans, S.W, Hentges, F, Stuart, D.I. | Deposit date: | 2010-01-28 | Release date: | 2011-02-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal Structure of the Allergen Arg R 1, a Histamine-Binding Lipocalin from a Soft Tick To be Published
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5IQN
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![BU of 5iqn by Molmil](/molmil-images/mine/5iqn) | Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitution Q134E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_SRIRIRGYVR | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, Protein FimF, ... | Authors: | Giese, C, Eras, J, Kern, A, Scharer, M.A, Capitani, G, Glockshuber, R. | Deposit date: | 2016-03-11 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude. Angew.Chem.Int.Ed.Engl., 55, 2016
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4MTY
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![BU of 4mty by Molmil](/molmil-images/mine/4mty) | Structure at 1A resolution of a helical aromatic foldamer-protein complex. | Descriptor: | 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Ogayone, T, Buratto, J, Langlois D'Estaintot, B, Stupfel, M, Granier, T, Gallois, B, Huc, Y. | Deposit date: | 2013-09-20 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structure of a complex formed by a protein and a helical aromatic oligoamide foldamer at 2.1 a resolution. Angew.Chem.Int.Ed.Engl., 53, 2014
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2IIM
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![BU of 2iim by Molmil](/molmil-images/mine/2iim) | SH3 Domain of Human Lck | Descriptor: | CALCIUM ION, Proto-oncogene tyrosine-protein kinase LCK, TETRAETHYLENE GLYCOL, ... | Authors: | Romir, J, Egerer-Sieber, C, Muller, Y.A. | Deposit date: | 2006-09-28 | Release date: | 2006-11-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal structure analysis and solution studies of human Lck-SH3; zinc-induced homodimerization competes with the binding of proline-rich motifs. J.Mol.Biol., 365, 2007
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8G22
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![BU of 8g22 by Molmil](/molmil-images/mine/8g22) | Crystal Structure of the dTDP-4-dehydrorhamnose Reductase from Streptococcus pneumoniae. | Descriptor: | dTDP-4-dehydrorhamnose reductase | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2023-02-03 | Release date: | 2023-02-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal Structure of the dTDP-4-dehydrorhamnose Reductase from Streptococcus pneumoniae. To Be Published
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7TMJ
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7QUA
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![BU of 7qua by Molmil](/molmil-images/mine/7qua) | Duplex RNA containing Xanthosine-Cytosine base pairs | Descriptor: | MAGNESIUM ION, RNA (5'-R(*CP*GP*CP*GP*(XAN)P*AP*UP*UP*AP*GP*CP*G)-3'), SODIUM ION | Authors: | Ennifar, E, Micura, R. | Deposit date: | 2022-01-17 | Release date: | 2023-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Towards a comprehensive understanding of RNA deamination: synthesis and properties of xanthosine-modified RNA. Nucleic Acids Res., 50, 2022
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1MSO
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![BU of 1mso by Molmil](/molmil-images/mine/1mso) | T6 Human Insulin at 1.0 A Resolution | Descriptor: | Insulin A-Chain, Insulin B-Chain, ZINC ION | Authors: | Smith, G.D, Pangborn, W.A, Blessing, R.H. | Deposit date: | 2002-09-19 | Release date: | 2003-03-04 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The structure of T6 human insulin at 1.0 A resolution. Acta Crystallogr.,Sect.D, 59, 2003
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5SV5
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![BU of 5sv5 by Molmil](/molmil-images/mine/5sv5) | 1.0 Angstrom Crystal Structure of pre-Peptidase C-terminal Domain of Collagenase from Bacillus anthracis. | Descriptor: | Microbial collagenase, SODIUM ION | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-08-04 | Release date: | 2016-08-17 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | 1.0 Angstrom Crystal Structure of pre-Peptidase C-terminal Domain of Collagenase from Bacillus anthracis. To Be Published
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2JHF
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![BU of 2jhf by Molmil](/molmil-images/mine/2jhf) | Structural evidence for a ligand coordination switch in liver alcohol dehydrogenase | Descriptor: | ALCOHOL DEHYDROGENASE E CHAIN, CADMIUM ION, DIMETHYL SULFOXIDE, ... | Authors: | Meijers, R, Adolph, H.W, Dauter, Z, Wilson, K.S, Lamzin, V.S, Cedergren-Zeppezauer, E.S. | Deposit date: | 2007-02-22 | Release date: | 2007-04-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural Evidence for a Ligand Coordination Switch in Liver Alcohol Dehydrogenase Biochemistry, 46, 2007
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1N4V
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1C0R
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![BU of 1c0r by Molmil](/molmil-images/mine/1c0r) | COMPLEX OF VANCOMYCIN WITH D-LACTIC ACID | Descriptor: | CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ... | Authors: | Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H. | Deposit date: | 1999-07-20 | Release date: | 1999-07-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding. J.Med.Chem., 42, 1999
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1UZV
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![BU of 1uzv by Molmil](/molmil-images/mine/1uzv) | High affinity fucose binding of Pseudomonas aeruginosa lectin II: 1.0 A crystal structure of the complex | Descriptor: | CALCIUM ION, PSEUDOMONAS AERUGINOSA LECTIN II, SULFATE ION, ... | Authors: | Mitchell, E, Sabin, C.D, Snajdrova, L, Budova, M, Perret, S, Gautier, C, Gilboa-Garber, N, Koca, J, Wimmerova, M, Imberty, A. | Deposit date: | 2004-03-17 | Release date: | 2004-12-08 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | High Affinity Fucose Binding of Pseudomonas Aeruginosa Lectin Pa-Iil: 1.0 A Resolution Crystal Structure of the Complex Combined with Thermodynamics and Computational Chemistry Approaches. Proteins, 58, 2005
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1YRI
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![BU of 1yri by Molmil](/molmil-images/mine/1yri) | Chicken villin subdomain HP-35, N68H, pH6.4 | Descriptor: | ACETATE ION, IODIDE ION, Villin | Authors: | Chiu, T.K, Kubelka, J, Herbst-Irmer, R, Eaton, W.A, Hofrichter, J, Davies, D.R. | Deposit date: | 2005-02-03 | Release date: | 2005-05-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | High-resolution x-ray crystal structures of the villin headpiece subdomain, an ultrafast folding protein. Proc.Natl.Acad.Sci.Usa, 102, 2005
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6I7Y
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![BU of 6i7y by Molmil](/molmil-images/mine/6i7y) | Crystal Structure of the first bromodomain of BRD4 in complex with RT56 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, [1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium | Authors: | Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-11-19 | Release date: | 2019-11-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal Structure of the first bromodomain of BRD4 in complex with RT56 To Be Published
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4YNH
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3P8J
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5MAJ
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![BU of 5maj by Molmil](/molmil-images/mine/5maj) | CATHEPSIN L IN COMPLEX WITH 4-[cyclopentyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]-6-morpholino-1,3,5-triazine-2-carbonitrile | Descriptor: | 1,2-ETHANEDIOL, Cathepsin L1, ~{N}-cyclopentyl-~{N}-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(iminomethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | Deposit date: | 2016-11-03 | Release date: | 2017-01-11 | Last modified: | 2017-02-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: AmideHeteroarene pi-Stacking Interactions and Chalcogen Bonding in the S3 Pocket. ChemMedChem, 12, 2017
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2CNQ
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![BU of 2cnq by Molmil](/molmil-images/mine/2cnq) | Atomic resolution structure of SAICAR-synthase from Saccharomyces cerevisiae complexed with ADP, AICAR, succinate | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, ... | Authors: | Urusova, D.V, Antonyuk, S.V, Grebenko, A.I, Levdikov, V.M, Barynin, V.V, Popov, A.N, Lamzin, V.S, Melik-Adamyan, W.R. | Deposit date: | 2006-05-23 | Release date: | 2006-06-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Saicar Synthase: Substrate Recognition, Conformational Flexibility and Catalysis. To be Published
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1YWC
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![BU of 1ywc by Molmil](/molmil-images/mine/1ywc) | Structure of the ferrous CO complex of NP4 from Rhodnius Prolixus at pH 7.0 | Descriptor: | CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, nitrophorin 4 | Authors: | Maes, E.M, Weichsel, A, Roberts, S.A, Montfort, W.R. | Deposit date: | 2005-02-17 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Ultrahigh Resolution Structures of Nitrophorin 4: Heme Distortion in Ferrous CO and NO Complexes Biochemistry, 44, 2005
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5D66
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2VHA
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![BU of 2vha by Molmil](/molmil-images/mine/2vha) | DEBP | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLUTAMIC ACID, PERIPLASMIC BINDING TRANSPORT PROTEIN | Authors: | Hu, Y.L, Fan, C.-P, Fu, G.S, Zhu, D.Y, Jin, Q, Wang, D.-C. | Deposit date: | 2007-11-20 | Release date: | 2008-07-08 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal Structure of a Glutamate/Aspartate Binding Protein Complexed with a Glutamate Molecule: Structural Basis of Ligand Specificity at Atomic Resolution. J.Mol.Biol., 382, 2008
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3JYO
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![BU of 3jyo by Molmil](/molmil-images/mine/3jyo) | Quinate dehydrogenase from Corynebacterium glutamicum in complex with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Quinate/shikimate dehydrogenase | Authors: | Hoeppner, A, Niefind, K, Schomburg, D. | Deposit date: | 2009-09-22 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Enzyme-substrate complexes of the quinate/shikimate dehydrogenase from Corynebacterium glutamicum enable new insights in substrate and cofactor binding, specificity, and discrimination. Biol.Chem., 394, 2013
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